Crystallography Open Database

Information card for entry 7707801

Preview

Coordinates	7707801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C284 H282 In11 N49 O113
Calculated formula	C256 H166 In11 N40 O84
Title of publication	Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.
Authors of publication	Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	28
Pages of publication	9942 - 9948
a	22.1234 ± 0.0004 Å
b	36.2197 ± 0.001 Å
c	28.4674 ± 0.0006 Å
α	90°
β	96.86 ± 0.002°
γ	90°
Cell volume	22647.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1574
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268720 (current)	2021-09-06	cif/ Updating files of 7707800, 7707801 Original log message: Adding full bibliography for 7707800--7707801.cif.	7707801.cif
267262	2021-07-06	cif/ Adding structures of 7707800, 7707801 via cif-deposit CGI script.	7707801.cif